4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one

C7H11NO2 — CID 90349417

IUPAC4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one
SMILESCC1=C(O)C(C)(C)NC1=O
InChIInChI=1S/C7H11NO2/c1-4-5(9)7(2,3)8-6(4)10/h9H,1-3H3,(H,8,10)
InChIKeyUGYGUPKBNNNTTI-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.73
Rot. Bonds

About 4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one

4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one (PubChem CID 90349417) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one
PubChem CID90349417
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one
SMILESCC1=C(O)C(C)(C)NC1=O
InChIInChI=1S/C7H11NO2/c1-4-5(9)7(2,3)8-6(4)10/h9H,1-3H3,(H,8,10)
InChIKeyUGYGUPKBNNNTTI-UHFFFAOYSA-N
XLogP0.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one
CID 58718694
4-hydroxy-5,5-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 66725429
3-acetyl-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one
CID 68007633
3-acetyl-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one;zinc
CID 163722649
4-aminooxy-3,5,5-trimethyl-1H-pyrrol-2-one
CID 163812652
4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one
CID 98086764
5-hydroxy-3,4,5-trimethyl-1H-pyrrol-2-one
CID 130010216

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one?
The IUPAC name of 4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one (CID 90349417) is 4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one.
What is the SMILES notation for 4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one?
The canonical SMILES for 4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one is CC1=C(O)C(C)(C)NC1=O.
What is the InChIKey of 4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one?
The InChIKey is UGYGUPKBNNNTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-5(9)7(2,3)8-6(4)10/h9H,1-3H3,(H,8,10).
What are the key properties of 4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one?
4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5,5-trimethyl-1H-pyrrol-2-one is sourced from PubChem (CID 90349417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).